skill

rdkit

Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms. Use when you need help with rdkit.

KindSkill
Installnpx -y github:anubhavg-icpl/vibe add rdkit
LicenseCC BY-NC-SA 4.0